3-fluoro-4-(2-methoxyphenoxy)benzonitrile

C14H10FNO2 — CID 43657455

IUPAC3-fluoro-4-(2-methoxyphenoxy)benzonitrile
SMILESCOc1ccccc1Oc1ccc(C#N)cc1F
InChIInChI=1S/C14H10FNO2/c1-17-13-4-2-3-5-14(13)18-12-7-6-10(9-16)8-11(12)15/h2-8H,1H3
InChIKeyNZFRIAJXZSXISB-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.50
Rot. Bonds3

About 3-fluoro-4-(2-methoxyphenoxy)benzonitrile

3-fluoro-4-(2-methoxyphenoxy)benzonitrile (PubChem CID 43657455) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-fluoro-4-(2-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(2-methoxyphenoxy)benzonitrile
PubChem CID43657455
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-fluoro-4-(2-methoxyphenoxy)benzonitrile
SMILESCOc1ccccc1Oc1ccc(C#N)cc1F
InChIInChI=1S/C14H10FNO2/c1-17-13-4-2-3-5-14(13)18-12-7-6-10(9-16)8-11(12)15/h2-8H,1H3
InChIKeyNZFRIAJXZSXISB-UHFFFAOYSA-N
XLogP3.50
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-aminoethyl)-3-methoxyphenoxy]-3-fluorobenzonitrile
CID 107665589
4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
CID 43657436
3-fluoro-4-[2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 107666090
3-fluoro-4-[2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666030
4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
3-fluoro-4-(2-methoxyphenyl)sulfanylbenzonitrile
CID 61296343
4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
4-[2-[(1R)-1-aminoethyl]-3-fluorophenoxy]-3-fluorobenzonitrile
CID 107665517
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-3-methoxybenzonitrile
CID 78938589
4-[2-(1-aminopropyl)phenoxy]-3-fluorobenzonitrile
CID 107665508

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methoxyphenoxy)benzonitrile?
The IUPAC name of 3-fluoro-4-(2-methoxyphenoxy)benzonitrile (CID 43657455) is 3-fluoro-4-(2-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(2-methoxyphenoxy)benzonitrile?
The canonical SMILES for 3-fluoro-4-(2-methoxyphenoxy)benzonitrile is COc1ccccc1Oc1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methoxyphenoxy)benzonitrile?
The InChIKey is NZFRIAJXZSXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-17-13-4-2-3-5-14(13)18-12-7-6-10(9-16)8-11(12)15/h2-8H,1H3.
What are the key properties of 3-fluoro-4-(2-methoxyphenoxy)benzonitrile?
3-fluoro-4-(2-methoxyphenoxy)benzonitrile has a molecular weight of 243.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 43657455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).